Geometry & MOs

Info

ID:	186124
PubChem CID:	77392862
Reduced:	FOSN6C23H25 (1)
Stoich.:	ABCD6E23F25 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	8.7
Dipole, Da:	3.33
IP(EA), eV:	-8.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)CF)NC3=CC(=NN3C4CC(=S)NCN4)C

DOS

IR

Vibrations